N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide

C11H15BrN2O2 — CID 114310132

IUPACN-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
SMILESCOCC(Br)CNC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-3-9(5-13-4-8)11(15)14-6-10(12)7-16-2/h3-5,10H,6-7H2,1-2H3,(H,14,15)
InChIKeyOUJQZQPVYYWDCS-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide

N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide (PubChem CID 114310132) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
PubChem CID114310132
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
SMILESCOCC(Br)CNC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-3-9(5-13-4-8)11(15)14-6-10(12)7-16-2/h3-5,10H,6-7H2,1-2H3,(H,14,15)
InChIKeyOUJQZQPVYYWDCS-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
CID 114309523
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide (CID 114310132) is N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide is COCC(Br)CNC(=O)c1cncc(C)c1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide?
The InChIKey is OUJQZQPVYYWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-3-9(5-13-4-8)11(15)14-6-10(12)7-16-2/h3-5,10H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide?
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 114310132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).